Geometry & MOs

Info

ID:	313554
PubChem CID:	126615873
Reduced:	PO3N4C15H17 (1)
Stoich.:	AB3C4D15E17 (1)
Weight, g/mol:	332.103827
ΔH_f, kcal/mol:	-81.28
Dipole, Da:	3.33
IP(EA), eV:	-9.27(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylpyrimidin-4-yl)-2-oxo-1-phosphanyl-5,6,8,9-tetrahydrooxepino[4,5-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)NC(=O)C2=CC(=O)N(C3=C2CCOCC3)P

DOS

IR

Vibrations